tert-butyl 5-pyridin-2-yl-2,3-bis(trifluoromethyl)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate

Systemtic Name: tert-butyl 5-pyridin-2-yl-2,3-bis(trifluoromethyl)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate Openeye Name: tert-butyl 5-(2-pyridyl)-2,3-bis(trifluoromethyl)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate CAS Name: 5-(2-pyridinyl)-2,3-bis(trifluoromethyl)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-pyridin-2-yl-2,3-bis(trifluoromethyl)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate Traditional Name: 5-(2-pyridyl)-2,3-bis(trifluoromethyl)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylic acid tert-butyl ester Formula: C18H18F6N2O2 MolecularWeight: 408.338139

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2CC(C1C(=C2C(F)(F)F)C(F)(F)F)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1C2CC(C1C(=C2C(F)(F)F)C(F)(F)F)C3=CC=CC=N3

InChI

InChI=1S/C18H18F6N2O2/c1-16(2,3)28-15(27)26-11-8-9(10-6-4-5-7-25-10)14(26)13(18(22,23)24)12(11)17(19,20)21/h4-7,9,11,14H,8H2,1-3H3